1,3-bis(diethoxyphosphoryl)propane

C11H26O6P2 — CID 519945

IUPAC1,3-bis(diethoxyphosphoryl)propane
SMILESCCOP(=O)(CCCP(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H26O6P2/c1-5-14-18(12,15-6-2)10-9-11-19(13,16-7-3)17-8-4/h5-11H2,1-4H3
InChIKeyLJQJJGQRJQSYQN-UHFFFAOYSA-N
MW316.27 g/mol
LogP3.91
Rot. Bonds12

About 1,3-bis(diethoxyphosphoryl)propane

1,3-bis(diethoxyphosphoryl)propane (PubChem CID 519945) has the molecular formula C11H26O6P2 and a molecular weight of 316.27 g/mol. Its IUPAC name is 1,3-bis(diethoxyphosphoryl)propane.

Molecular Properties

Compound Name1,3-bis(diethoxyphosphoryl)propane
PubChem CID519945
Molecular FormulaC11H26O6P2
Molecular Weight316.27 g/mol
Exact Mass316.12
IUPAC Name1,3-bis(diethoxyphosphoryl)propane
SMILESCCOP(=O)(CCCP(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H26O6P2/c1-5-14-18(12,15-6-2)10-9-11-19(13,16-7-3)17-8-4/h5-11H2,1-4H3
InChIKeyLJQJJGQRJQSYQN-UHFFFAOYSA-N
XLogP3.91
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Tetraethyl Pyrophosphate
CID 7873
Tributyl Phosphate
CID 31357
Dibutyl butylphosphonate
CID 6539
Tetraisopropyl methylenediphosphonate
CID 74266
Phosphonium, tributylethyl-, diethyl phosphate (1:1)
CID 60196373
Tetraethyl methylenediphosphonate
CID 15455
Tripropyl phosphate
CID 10546
Diethyl P-hexylphosphonate
CID 85311
Tetraethyl ethylenebisphosphonate
CID 70446
Tetraisopropyl 1,2-ethylenediphosphonate
CID 605693
Dibutyl propylphosphonate
CID 99440
Phosphoric acid, butyl diethyl ester
CID 75956

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(diethoxyphosphoryl)propane?
The IUPAC name of 1,3-bis(diethoxyphosphoryl)propane (CID 519945) is 1,3-bis(diethoxyphosphoryl)propane.
What is the SMILES notation for 1,3-bis(diethoxyphosphoryl)propane?
The canonical SMILES for 1,3-bis(diethoxyphosphoryl)propane is CCOP(=O)(CCCP(=O)(OCC)OCC)OCC.
What is the InChIKey of 1,3-bis(diethoxyphosphoryl)propane?
The InChIKey is LJQJJGQRJQSYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O6P2/c1-5-14-18(12,15-6-2)10-9-11-19(13,16-7-3)17-8-4/h5-11H2,1-4H3.
What are the key properties of 1,3-bis(diethoxyphosphoryl)propane?
1,3-bis(diethoxyphosphoryl)propane has a molecular weight of 316.27 g/mol, XLogP of 3.91, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(diethoxyphosphoryl)propane is sourced from PubChem (CID 519945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).